N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

C6H5F3N2OS — CID 63038078

IUPACN-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cscn1
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)2-10-5(12)4-1-13-3-11-4/h1,3H,2H2,(H,10,12)
InChIKeyRYOBGFCYAOMCKP-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.44
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide

N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (PubChem CID 63038078) has the molecular formula C6H5F3N2OS and a molecular weight of 210.18 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
PubChem CID63038078
Molecular FormulaC6H5F3N2OS
Molecular Weight210.18 g/mol
Exact Mass210.01
IUPAC NameN-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cscn1
InChIInChI=1S/C6H5F3N2OS/c7-6(8,9)2-10-5(12)4-1-13-3-11-4/h1,3H,2H2,(H,10,12)
InChIKeyRYOBGFCYAOMCKP-UHFFFAOYSA-N
XLogP1.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Thiazole-4-carboxamide
CID 445276
2-ethynyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 168295957
2-bromo-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 168278291
2-(Aminomethyl)-1,3-thiazole-4-carboxamide
CID 18003418
N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 63024101
N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 62045802
N-cycloheptyl-1,3-thiazole-4-carboxamide
CID 62046160
2-(1,3-Thiazole-4-carbonylamino)acetic acid;hydrochloride
CID 170912291
(s)-(N-(3-trifluoroacetyl))-2-(1-acetamidoethyl) thiazole-4-carboxamide
CID 168059171
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide
CID 71858990
(2S)-2-methyl-1-(1,3-thiazole-4-carbonyl)piperazine
CID 82705199
N-[(2S)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95905650

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide (CID 63038078) is N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is O=C(NCC(F)(F)F)c1cscn1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is RYOBGFCYAOMCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2OS/c7-6(8,9)2-10-5(12)4-1-13-3-11-4/h1,3H,2H2,(H,10,12).
What are the key properties of N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide?
N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 210.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63038078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).